4-(4-aminocyclohexyl)-2H-phthalazin-1-one

C14H17N3O — CID 134286363

IUPAC4-(4-aminocyclohexyl)-2H-phthalazin-1-one
SMILESNC1CCC(c2n[nH]c(=O)c3ccccc23)CC1
InChIInChI=1S/C14H17N3O/c15-10-7-5-9(6-8-10)13-11-3-1-2-4-12(11)14(18)17-16-13/h1-4,9-10H,5-8,15H2,(H,17,18)
InChIKeyTVXHAUDDTXULIP-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.91
Rot. Bonds1

About 4-(4-aminocyclohexyl)-2H-phthalazin-1-one

4-(4-aminocyclohexyl)-2H-phthalazin-1-one (PubChem CID 134286363) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-(4-aminocyclohexyl)-2H-phthalazin-1-one.

Molecular Properties

Compound Name4-(4-aminocyclohexyl)-2H-phthalazin-1-one
PubChem CID134286363
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name4-(4-aminocyclohexyl)-2H-phthalazin-1-one
SMILESNC1CCC(c2n[nH]c(=O)c3ccccc23)CC1
InChIInChI=1S/C14H17N3O/c15-10-7-5-9(6-8-10)13-11-3-1-2-4-12(11)14(18)17-16-13/h1-4,9-10H,5-8,15H2,(H,17,18)
InChIKeyTVXHAUDDTXULIP-UHFFFAOYSA-N
XLogP1.91
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyclopentyl-2H-phthalazin-1-one
CID 852172
4-(2-hydroxyspiro[3.3]heptan-6-yl)-2H-phthalazin-1-one
CID 118661389
5-chloro-6-oxo-N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]-1H-pyridine-3-carboxamide
CID 134286643
silver 4-oxo-3H-phthalazin-1-olate
CID 90482828
4-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-2H-phthalazin-1-one;hydrochloride
CID 11582098
3-methyl-N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]-4-(1H-pyrazol-4-yl)benzamide
CID 134286476
2-methoxy-N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]-4-(1H-pyrazol-4-yl)benzamide
CID 134286776
N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide
CID 134286405
6-chloro-N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]-1-benzothiophene-2-carboxamide
CID 134286552
4-(2-methyl-2,3-dihydro-1H-inden-1-yl)-2H-phthalazin-1-one
CID 70867807
7-bromo-4-(oxan-4-yl)-2H-phthalazin-1-one
CID 167085408
6-fluoro-N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 134286586

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminocyclohexyl)-2H-phthalazin-1-one?
The IUPAC name of 4-(4-aminocyclohexyl)-2H-phthalazin-1-one (CID 134286363) is 4-(4-aminocyclohexyl)-2H-phthalazin-1-one.
What is the SMILES notation for 4-(4-aminocyclohexyl)-2H-phthalazin-1-one?
The canonical SMILES for 4-(4-aminocyclohexyl)-2H-phthalazin-1-one is NC1CCC(c2n[nH]c(=O)c3ccccc23)CC1.
What is the InChIKey of 4-(4-aminocyclohexyl)-2H-phthalazin-1-one?
The InChIKey is TVXHAUDDTXULIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c15-10-7-5-9(6-8-10)13-11-3-1-2-4-12(11)14(18)17-16-13/h1-4,9-10H,5-8,15H2,(H,17,18).
What are the key properties of 4-(4-aminocyclohexyl)-2H-phthalazin-1-one?
4-(4-aminocyclohexyl)-2H-phthalazin-1-one has a molecular weight of 243.31 g/mol, XLogP of 1.91, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminocyclohexyl)-2H-phthalazin-1-one is sourced from PubChem (CID 134286363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).